UCSF

ZINC38005702

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 17 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.00 6.12 -48.06 3 3 1 45 246.359 3
Hi High (pH 8-9.5) 1.00 5.3 -7.22 2 3 0 41 245.351 3

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )